CHEMBL4853107


SMILES Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1
InChIKey BIZMGZSJEDDVNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 402.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pKi 5.44 5.44 5.44 ChEMBL
H2 HRH2 Human Histamine A pKi 7.14 7.14 7.14 ChEMBL
H1 HRH1 Human Histamine A pKi 5.78 5.78 5.78 ChEMBL
H3 HRH3 Human Histamine A pKi 5.49 5.49 5.49 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.07 7.07 7.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pEC50 6.88 7.05 7.22 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.55 6.55 6.55 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.96 5.96 5.96 ChEMBL